Acetic Acid → HCID 70872626, compound

HRID 320398Notes

Reaction equation

HRID 320398 reaction equation
[C:56]([O:57][BH-:58]([O:59][C:60](=[O:61])[CH3:62])[O:63][C:64](=[O:65])[CH3:66])(=[O:67])[CH3:68].[CH2:1]([CH3:2])[N:3]([c:4]1[c:5]([CH3:37])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:21])[nH:13][c:14]([CH3:20])[cH:15][c:16]2[CH2:17][CH2:18][CH3:19])[cH:22][c:23](-[c:25]2[cH:26][n:27][c:28]([N:31]3[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[cH:29][cH:30]2)[cH:24]1)[CH:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[CH3:44][N:45]1[CH2:46][CH2:47][C:48](=[O:51])[CH2:49][CH2:50]1.[CH3:52][C:53](=[O:54])[OH:55].[Cl:70][CH:71]([Cl:72])[CH3:73].[Na+:69]>>[CH2:1]([CH3:2])[N:3]([c:4]1[c:5]([CH3:37])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:21])[nH:13][c:14]([CH3:20])[cH:15][c:16]2[CH2:17][CH2:18][CH3:19])[cH:22][c:23](-[c:25]2[cH:26][n:27][c:28]([N:31]3[CH2:32][CH2:33][N:34]([CH:48]4[CH2:47][CH2:46][N:45]([CH3:44])[CH2:50][CH2:49]4)[CH2:35][CH2:36]3)[cH:29][cH:30]2)[cH:24]1)[CH:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 740491-Methyl-4-piperidoneHCID 2724942TriacetoxyborohydrideHCID 70872420HCID 70872420, compound

Product 1

HCID 70872626HCID 70872626, compound

Sources & evidence

ORD record
ord-f3658d2309504d80b239b41d0e7bf2f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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